N-(1-phenylethyl)-5-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)thiophene-2-carboxamide

Systemtic Name: N-(1-phenylethyl)-5-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)thiophene-2-carboxamide Openeye Name: N-(1-phenylethyl)-5-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)thiophene-2-carboxamide CAS Name: N-(1-phenylethyl)-5-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-2-thiophenecarboxamide IUPAC Name: N-(1-phenylethyl)-5-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)thiophene-2-carboxamide Traditional Name: N-(1-phenylethyl)-5-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)thiophene-2-carboxamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(S2)N3CC4=CC=CC=C4OC5=C3C=CC=N5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(S2)N3CC4=CC=CC=C4OC5=C3C=CC=N5

InChI

InChI=1S/C25H21N3O2S/c1-17(18-8-3-2-4-9-18)27-24(29)22-13-14-23(31-22)28-16-19-10-5-6-12-21(19)30-25-20(28)11-7-15-26-25/h2-15,17H,16H2,1H3,(H,27,29)